tert-butyl N-[2-(2-formyl-1,3-thiazol-4-yl)ethyl]carbamate

C11H16N2O3S — CID 91528167

IUPACtert-butyl N-[2-(2-formyl-1,3-thiazol-4-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1csc(C=O)n1
InChIInChI=1S/C11H16N2O3S/c1-11(2,3)16-10(15)12-5-4-8-7-17-9(6-14)13-8/h6-7H,4-5H2,1-3H3,(H,12,15)
InChIKeyGSERBBFNZBBIPO-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.02
Rot. Bonds4

About tert-butyl N-[2-(2-formyl-1,3-thiazol-4-yl)ethyl]carbamate

tert-butyl N-[2-(2-formyl-1,3-thiazol-4-yl)ethyl]carbamate (PubChem CID 91528167) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is tert-butyl N-[2-(2-formyl-1,3-thiazol-4-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-formyl-1,3-thiazol-4-yl)ethyl]carbamate
PubChem CID91528167
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Nametert-butyl N-[2-(2-formyl-1,3-thiazol-4-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1csc(C=O)n1
InChIInChI=1S/C11H16N2O3S/c1-11(2,3)16-10(15)12-5-4-8-7-17-9(6-14)13-8/h6-7H,4-5H2,1-3H3,(H,12,15)
InChIKeyGSERBBFNZBBIPO-UHFFFAOYSA-N
XLogP2.02
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze tert-butyl N-[2-(2-formyl-1,3-thiazol-4-yl)ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-formyl-1,3-thiazol-4-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-formyl-1,3-thiazol-4-yl)ethyl]carbamate (CID 91528167) is tert-butyl N-[2-(2-formyl-1,3-thiazol-4-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-formyl-1,3-thiazol-4-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-formyl-1,3-thiazol-4-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCCc1csc(C=O)n1.
What is the InChIKey of tert-butyl N-[2-(2-formyl-1,3-thiazol-4-yl)ethyl]carbamate?
The InChIKey is GSERBBFNZBBIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-11(2,3)16-10(15)12-5-4-8-7-17-9(6-14)13-8/h6-7H,4-5H2,1-3H3,(H,12,15).
What are the key properties of tert-butyl N-[2-(2-formyl-1,3-thiazol-4-yl)ethyl]carbamate?
tert-butyl N-[2-(2-formyl-1,3-thiazol-4-yl)ethyl]carbamate has a molecular weight of 256.33 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-formyl-1,3-thiazol-4-yl)ethyl]carbamate is sourced from PubChem (CID 91528167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).